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When two or more sites in an asymmetrical molecule may be involved in an equilibrium reaction there are more than one possible equilibrium constants. For example, the molecule L-DOPA has two non-equivalent hydroxyl groups which may be deprotonated. Denoting L-DOPA as LH 2, the following diagram shows all the species that may be formed (X = CH 2 ...
where ln denotes the natural logarithm, is the thermodynamic equilibrium constant, and R is the ideal gas constant. This equation is exact at any one temperature and all pressures, derived from the requirement that the Gibbs free energy of reaction be stationary in a state of chemical equilibrium .
The reaction quotient plays a crucial role in understanding the direction and extent of a chemical reaction's progress towards equilibrium: Equilibrium condition: At equilibrium, the reaction quotient (Q) is equal to the equilibrium constant (K) for the reaction. This condition is represented as Q = K, indicating that the forward and reverse ...
Equilibrium constants are defined in terms of fugacity. If the gases are at sufficiently low pressure that they behave as ideal gases, the equilibrium constant can be defined as a quotient of partial pressures. An example of gas-phase equilibrium is provided by the Haber–Bosch process of ammonia synthesis.
The value of the equilibrium constant for the formation of a 1:1 complex, such as a host-guest species, may be calculated with a dedicated spreadsheet application, Bindfit: [4] In this case step 2 can be performed with a non-iterative procedure and the pre-programmed routine Solver can be used for step 3.
The volume of gas increases proportionally to absolute temperature and decreases inversely proportionally to pressure, approximately according to the ideal gas law: = where: p is the pressure; V is the volume; n is the amount of substance of gas (moles) R is the gas constant, 8.314 J·K −1 mol −1
The molar gas constant (also known as the gas constant, universal gas constant, or ideal gas constant) is denoted by the symbol R or R. It is the molar equivalent to the Boltzmann constant , expressed in units of energy per temperature increment per amount of substance , rather than energy per temperature increment per particle .
The relative activity of a species i, denoted a i, is defined [4] [5] as: = where μ i is the (molar) chemical potential of the species i under the conditions of interest, μ o i is the (molar) chemical potential of that species under some defined set of standard conditions, R is the gas constant, T is the thermodynamic temperature and e is the exponential constant.